Glycoside
GD028217
Name:
PhlomisethanosideFormula:
C27H34O14Smiles:
COc1cc(C(=O)OC[C@]2(O)CO[C@H](O[C@H]3[C@H](OCCc4ccc(O)cc4)O[C@@H](CO)[C@@H](O)[C@H]3O)[C@H]2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 11 |
| MolWt: | 582.56 | Num_heavy_atoms: | 41 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD03863
Formula: C8H10O2
Smiles:
OCCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
